(5Z)-3-[(4-bromophenyl)methyl]-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione

Formula:C21H13N2O3BrCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-3-[(4-bromophenyl)methyl]-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione is not a drug-like molecule.

MolName(5Z)-3-[(4-bromophenyl)methyl]-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
MolecularFormulaC21H13N2O3BrCl2
SmilesO=C(/C(/N1)=C/c2ccc(-c(cc3)cc(Cl)c3Cl)o2)N(Cc(cc2)ccc2Br)C1=O
InChIInChI=1S/C21H13BrCl2N2O3/c22-14-4-1-12(2-5-14)11-26-20(27)18(25-21(26)28)10-15-6-8-19(29-15)13-3-7-16(23)17(24)9-13/h1-10H,11H2,(H,25,28)
InChIKCGRZXJCUXYPGHZ-UHFFFAOYSA-N
TotalMolweight492.155
Molweight492.155
MonoisotopicMass489.948658
CLogP5.4154
CLogS-7.463
H Acceptors5
H Donors1
TotalSurfaceArea314.17
Relative PSA0.1757
PolarSurfaceArea62.55
Druglikeness3.946
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.62069
Fragments1
Non HAtoms29
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms1
Symmetricatoms2
Amides2
StereoCon

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